2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

C17H10FN3O2S — CID 59179893

IUPAC2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-11-6-7-14-12(8-11)15(10-4-2-1-3-5-10)20-21(14)17-19-13(9-24-17)16(22)23/h1-9H,(H,22,23)
InChIKeyTUEMTQXNGVSWLL-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.99
Rot. Bonds3

About 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179893) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179893
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC Name2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-11-6-7-14-12(8-11)15(10-4-2-1-3-5-10)20-21(14)17-19-13(9-24-17)16(22)23/h1-9H,(H,22,23)
InChIKeyTUEMTQXNGVSWLL-UHFFFAOYSA-N
XLogP3.99
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179305
2-(6-Trifluoromethyl-3-phenyl-1H-indazole-1-yl)-4-thiazolecarboxylic acid
CID 59179887
2-[3-Phenyl-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179917
2-[3-(3,4-dihydro-2H-pyran-6-yl)-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179944
2-(6-Methyl-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 68258993
2-(3-Phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
CID 1498318
2-[3-(3-Fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611364
2-(4-Hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611631
2-(4-Chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611633
2-(4-Fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611763
2-[5-(3-Fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611764
2-(4-Methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 46220498

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179893) is 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1.
What is the InChIKey of 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is TUEMTQXNGVSWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-11-6-7-14-12(8-11)15(10-4-2-1-3-5-10)20-21(14)17-19-13(9-24-17)16(22)23/h1-9H,(H,22,23).
What are the key properties of 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).